2-(4-oxoquinolin-1-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide

C20H21N5O2 — CID 99646202

IUPAC2-(4-oxoquinolin-1-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
SMILESO=C(Cn1ccc(=O)c2ccccc21)N[C@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C20H21N5O2/c26-18-8-12-24(17-7-2-1-6-16(17)18)14-19(27)23-15-5-3-11-25(13-15)20-21-9-4-10-22-20/h1-2,4,6-10,12,15H,3,5,11,13-14H2,(H,23,27)/t15-/m0/s1
InChIKeyGRFBXYYEJGMWCK-HNNXBMFYSA-N
MW363.42 g/mol
LogP1.58
Rot. Bonds4

About 2-(4-oxoquinolin-1-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide

2-(4-oxoquinolin-1-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide (PubChem CID 99646202) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(4-oxoquinolin-1-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-oxoquinolin-1-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
PubChem CID99646202
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-(4-oxoquinolin-1-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
SMILESO=C(Cn1ccc(=O)c2ccccc21)N[C@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C20H21N5O2/c26-18-8-12-24(17-7-2-1-6-16(17)18)14-19(27)23-15-5-3-11-25(13-15)20-21-9-4-10-22-20/h1-2,4,6-10,12,15H,3,5,11,13-14H2,(H,23,27)/t15-/m0/s1
InChIKeyGRFBXYYEJGMWCK-HNNXBMFYSA-N
XLogP1.58
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-imidazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 91835587
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 97138600
2-indol-1-yl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99697341
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 55802709
2-ethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 60793288
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161
2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 94100658
2-(2-methylimidazol-1-yl)-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124958753
2-(1-adamantyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 94100426
3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 120612580
2-(4-oxoquinolin-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 51126832

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinolin-1-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
The IUPAC name of 2-(4-oxoquinolin-1-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide (CID 99646202) is 2-(4-oxoquinolin-1-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-oxoquinolin-1-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-(4-oxoquinolin-1-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide is O=C(Cn1ccc(=O)c2ccccc21)N[C@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-(4-oxoquinolin-1-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
The InChIKey is GRFBXYYEJGMWCK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-18-8-12-24(17-7-2-1-6-16(17)18)14-19(27)23-15-5-3-11-25(13-15)20-21-9-4-10-22-20/h1-2,4,6-10,12,15H,3,5,11,13-14H2,(H,23,27)/t15-/m0/s1.
What are the key properties of 2-(4-oxoquinolin-1-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
2-(4-oxoquinolin-1-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinolin-1-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide is sourced from PubChem (CID 99646202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).